Np mrd loader

Showing NP-Card for scleritodermin A (NP0027116)

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Record Information
Version2.0
Created at2021-06-19 18:49:43 UTC
Updated at2021-06-29 23:53:03 UTC
NP-MRD IDNP0027116
Secondary Accession NumbersNone
Natural Product Identification
Common Namescleritodermin A
Provided ByJEOL DatabaseJEOL Logo
Description scleritodermin A is found in Scleritoderma nodosum. scleritodermin A was first documented in 2004 (Schmidt, E. W., et al.). Based on a literature review very few articles have been published on (2S)-N-[(2S,6S,9S,15S,19Z,21Z)-6-[(2S)-butan-2-yl]-8-hydroxy-2-[(4-hydroxyphenyl)methyl]-19,21-dimethyl-4,5,14,18-tetraoxo-17-oxa-25-thia-3,7,13,26-tetraazatricyclo[21.2.1.0⁹,¹³]Hexacosa-1(26),7,19,21,23-pentaen-15-yl]-1-[(2R)-3-methoxy-2-(sulfoamino)propanoyl]pyrrolidine-2-carboximidic acid.
Structure
Thumb
MOL3D MOLSDF3D SDFPDBSMILESInChI

MOL for NP0027116 (scleritodermin A)


  Mrv1652306192120493D          

119123  0  0  0  0            999 V2000
   -6.6412    0.2902   -0.5867 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1910    0.1188   -1.0204 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.9554    0.4125   -2.5172 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.7455   -0.5483   -3.4150 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4541    0.4005   -2.9084 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.8032   -0.8763   -2.6275 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8169   -1.3856   -3.4452 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4667   -0.8088   -4.4719 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2993   -2.7913   -3.0686 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.1660   -3.8705   -3.7189 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.2577   -4.1344   -2.6862 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.5475   -3.9529   -1.3540 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.4196   -3.0751   -1.6327 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5529   -2.7201   -0.6114 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8835   -2.9168    0.5601 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4043   -1.3213    0.0721 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9937   -1.8069    1.2178 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1061   -3.0037    1.4697 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4281   -1.3019    3.2649 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4080   -1.5536    4.3700 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4752   -0.3582    4.2545 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.5561    0.0569    2.8601 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8593    1.0886    2.2667 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9229    1.2732    1.0461 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0954    2.0430    3.1906 C   0  0  1  0  0  0  0  0  0  0  0  0
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    0.3299    4.1594    4.3328 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2133    5.1387    4.8645 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1591    2.5519    2.5640 N   0  0  1  0  0  0  0  0  0  0  0  0
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    3.6819    1.0766   -3.7545 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3018    1.8358   -4.4302 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.5500    1.8260   -2.8790 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
Download

3D MOL for NP0027116 (scleritodermin A)

     RDKit          3D

119123  0  0  0  0  0  0  0  0999 V2000
   -6.6412    0.2902   -0.5867 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1910    0.1188   -1.0204 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9554    0.4125   -2.5172 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.7455   -0.5483   -3.4150 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4541    0.4005   -2.9084 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.8032   -0.8763   -2.6275 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8169   -1.3856   -3.4452 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4667   -0.8088   -4.4719 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2993   -2.7913   -3.0686 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.1660   -3.8705   -3.7189 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2577   -4.1344   -2.6862 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5475   -3.9529   -1.3540 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4196   -3.0751   -1.6327 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5529   -2.7201   -0.6114 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8835   -2.9168    0.5601 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8392   -2.1573   -0.9922 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4043   -1.3213    0.0721 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5753   -0.7096    2.1390 C   0  0  2  0  0  0  0  0  0  0  0  0
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M  END
Download

3D SDF for NP0027116 (scleritodermin A)


  Mrv1652306192120493D          

119123  0  0  0  0            999 V2000
   -6.6412    0.2902   -0.5867 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1910    0.1188   -1.0204 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.9554    0.4125   -2.5172 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.7455   -0.5483   -3.4150 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4541    0.4005   -2.9084 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.8032   -0.8763   -2.6275 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8169   -1.3856   -3.4452 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4667   -0.8088   -4.4719 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2993   -2.7913   -3.0686 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.1660   -3.8705   -3.7189 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.2577   -4.1344   -2.6862 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.5475   -3.9529   -1.3540 C   0  0  1  0  0  0  0  0  0  0  0  0
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   -0.5529   -2.7201   -0.6114 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8835   -2.9168    0.5601 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.1591    2.5519    2.5640 N   0  0  1  0  0  0  0  0  0  0  0  0
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    1.5500    1.8260   -2.8790 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.1437    2.3640   -2.7045 C   0  0  2  0  0  0  0  0  0  0  0  0
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    0.2448    5.8103    0.5562 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2378    5.0725   -0.5254 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3958    1.7846   -1.4758 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6574    1.3100   -1.2650 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.9854    2.7688   -2.5805 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2894   -0.4637   -1.0425 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7219    0.1798    0.4996 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0175    1.2825   -0.8544 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5853    0.8020   -0.4166 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2904   -0.3097   -0.0020 H   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
> <DATABASE_ID>
NP0027116

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[H]OC1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])[C@]1([H])N([H])C(=O)C(=O)[C@@]([H])(N([H])C(=O)[C@@]2([H])N(C(=O)[C@@]([H])(N([H])C(=O)[C@@]3([H])N(C(=O)[C@]([H])(N([H])[S](=O)(=O)O[H])C([H])([H])OC([H])([H])[H])C([H])([H])C([H])([H])C3([H])[H])C([H])([H])OC(=O)\C(=C(\[H])/C(=C([H])\C3=C([H])SC1=N3)/C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C2([H])[H])[C@@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H]

> <INCHI_IDENTIFIER>
InChI=1S/C42H55N7O13S2/c1-6-24(3)34-35(51)38(54)44-29(19-26-11-13-28(50)14-12-26)39-43-27(22-63-39)18-23(2)17-25(4)42(57)62-21-30(40(55)48-15-8-10-33(48)37(53)46-34)45-36(52)32-9-7-16-49(32)41(56)31(20-61-5)47-64(58,59)60/h11-14,17-18,22,24,29-34,47,50H,6-10,15-16,19-21H2,1-5H3,(H,44,54)(H,45,52)(H,46,53)(H,58,59,60)/b23-18-,25-17-/t24-,29-,30-,31+,32-,33-,34-/m0/s1

> <INCHI_KEY>
FBWRNVAZLCEZQO-GTCYGRJLSA-N

> <FORMULA>
C42H55N7O13S2

> <MOLECULAR_WEIGHT>
930.06

> <EXACT_MASS>
929.329927207

> <JCHEM_ACCEPTOR_COUNT>
13

> <JCHEM_ATOM_COUNT>
119

> <JCHEM_AVERAGE_POLARIZABILITY>
91.53967831565355

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S)-N-[(2S,6S,9S,15S,19Z,21Z)-6-[(2S)-butan-2-yl]-2-[(4-hydroxyphenyl)methyl]-19,21-dimethyl-4,5,8,14,18-pentaoxo-17-oxa-25-thia-3,7,13,26-tetraazatricyclo[21.2.1.0^{9,13}]hexacosa-1(26),19,21,23-tetraen-15-yl]-1-[(2R)-3-methoxy-2-(sulfoamino)propanoyl]pyrrolidine-2-carboxamide

> <ALOGPS_LOGP>
1.40

> <JCHEM_LOGP>
-0.3905335552276372

> <ALOGPS_LOGS>
-4.98

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
9.364687545593123

> <JCHEM_PKA_STRONGEST_ACIDIC>
-1.0563617524432596

> <JCHEM_PKA_STRONGEST_BASIC>
1.240553356815758

> <JCHEM_POLAR_SURFACE_AREA>
280.03999999999996

> <JCHEM_REFRACTIVITY>
231.1114

> <JCHEM_ROTATABLE_BOND_COUNT>
10

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
9.66e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2S)-N-[(2S,6S,9S,15S,19Z,21Z)-6-[(2S)-butan-2-yl]-2-[(4-hydroxyphenyl)methyl]-19,21-dimethyl-4,5,8,14,18-pentaoxo-17-oxa-25-thia-3,7,13,26-tetraazatricyclo[21.2.1.0^{9,13}]hexacosa-1(26),19,21,23-tetraen-15-yl]-1-[(2R)-3-methoxy-2-(sulfoamino)propanoyl]pyrrolidine-2-carboxamide

> <JCHEM_VEBER_RULE>
0

$$$$
Download

3D-SDF for NP0027116 (scleritodermin A)

     RDKit          3D

119123  0  0  0  0  0  0  0  0999 V2000
   -6.6412    0.2902   -0.5867 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1910    0.1188   -1.0204 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9554    0.4125   -2.5172 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.7455   -0.5483   -3.4150 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4541    0.4005   -2.9084 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.8032   -0.8763   -2.6275 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8169   -1.3856   -3.4452 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4667   -0.8088   -4.4719 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2993   -2.7913   -3.0686 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.1660   -3.8705   -3.7189 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2577   -4.1344   -2.6862 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5475   -3.9529   -1.3540 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4196   -3.0751   -1.6327 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5529   -2.7201   -0.6114 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8835   -2.9168    0.5601 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8392   -2.1573   -0.9922 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4043   -1.3213    0.0721 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9937   -1.8069    1.2178 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1061   -3.0037    1.4697 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5753   -0.7096    2.1390 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.4281   -1.3019    3.2649 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4080   -1.5536    4.3700 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4752   -0.3582    4.2545 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5561    0.0569    2.8601 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8593    1.0886    2.2667 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9229    1.2732    1.0461 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0954    2.0430    3.1906 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.0237    3.2302    3.4855 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3299    4.1594    4.3328 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2133    5.1387    4.8645 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1591    2.5519    2.5640 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4931    1.5679    2.7907 S   0  0  1  0  0  6  0  0  0  0  0  0
   -2.6778    1.4322    4.2154 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5387    2.0717    1.9348 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0083    0.1573    2.2117 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7493   -3.3264   -1.4211 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0348   -2.8761   -1.8940 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0757   -2.4982   -3.1928 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1214   -2.4651   -3.9557 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4753   -2.2625   -3.6348 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7982   -2.8866   -4.9603 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3843   -1.5488   -2.9427 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1961   -0.8360   -1.6893 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0523   -1.3538   -0.5624 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3498    0.1955   -1.4958 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4671    0.8306   -2.4170 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6819    1.0766   -3.7545 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3018    1.8358   -4.4302 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.5500    1.8260   -2.8790 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2684    1.2835   -1.9126 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
Download

PDB for NP0027116 (scleritodermin A)

HEADER    PROTEIN                                 19-JUN-21   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   19-JUN-21         0                                  
HETATM    1  C   UNK     0      -6.641   0.290  -0.587  0.00  0.00           C+0
HETATM    2  C   UNK     0      -5.191   0.119  -1.020  0.00  0.00           C+0
HETATM    3  C   UNK     0      -4.955   0.413  -2.517  0.00  0.00           C+0
HETATM    4  C   UNK     0      -5.745  -0.548  -3.415  0.00  0.00           C+0
HETATM    5  C   UNK     0      -3.454   0.401  -2.908  0.00  0.00           C+0
HETATM    6  N   UNK     0      -2.803  -0.876  -2.628  0.00  0.00           N+0
HETATM    7  C   UNK     0      -1.817  -1.386  -3.445  0.00  0.00           C+0
HETATM    8  O   UNK     0      -1.467  -0.809  -4.472  0.00  0.00           O+0
HETATM    9  C   UNK     0      -1.299  -2.791  -3.069  0.00  0.00           C+0
HETATM   10  C   UNK     0      -2.166  -3.870  -3.719  0.00  0.00           C+0
HETATM   11  C   UNK     0      -3.258  -4.134  -2.686  0.00  0.00           C+0
HETATM   12  C   UNK     0      -2.547  -3.953  -1.354  0.00  0.00           C+0
HETATM   13  N   UNK     0      -1.420  -3.075  -1.633  0.00  0.00           N+0
HETATM   14  C   UNK     0      -0.553  -2.720  -0.611  0.00  0.00           C+0
HETATM   15  O   UNK     0      -0.884  -2.917   0.560  0.00  0.00           O+0
HETATM   16  C   UNK     0       0.839  -2.157  -0.992  0.00  0.00           C+0
HETATM   17  N   UNK     0       1.404  -1.321   0.072  0.00  0.00           N+0
HETATM   18  C   UNK     0       1.994  -1.807   1.218  0.00  0.00           C+0
HETATM   19  O   UNK     0       2.106  -3.004   1.470  0.00  0.00           O+0
HETATM   20  C   UNK     0       2.575  -0.710   2.139  0.00  0.00           C+0
HETATM   21  C   UNK     0       3.428  -1.302   3.265  0.00  0.00           C+0
HETATM   22  C   UNK     0       2.408  -1.554   4.370  0.00  0.00           C+0
HETATM   23  C   UNK     0       1.475  -0.358   4.255  0.00  0.00           C+0
HETATM   24  N   UNK     0       1.556   0.057   2.860  0.00  0.00           N+0
HETATM   25  C   UNK     0       0.859   1.089   2.267  0.00  0.00           C+0
HETATM   26  O   UNK     0       0.923   1.273   1.046  0.00  0.00           O+0
HETATM   27  C   UNK     0       0.095   2.043   3.191  0.00  0.00           C+0
HETATM   28  C   UNK     0       1.024   3.230   3.486  0.00  0.00           C+0
HETATM   29  O   UNK     0       0.330   4.159   4.333  0.00  0.00           O+0
HETATM   30  C   UNK     0       1.213   5.139   4.864  0.00  0.00           C+0
HETATM   31  N   UNK     0      -1.159   2.552   2.564  0.00  0.00           N+0
HETATM   32  S   UNK     0      -2.493   1.568   2.791  0.00  0.00           S+0
HETATM   33  O   UNK     0      -2.678   1.432   4.215  0.00  0.00           O+0
HETATM   34  O   UNK     0      -3.539   2.072   1.935  0.00  0.00           O+0
HETATM   35  O   UNK     0      -2.008   0.157   2.212  0.00  0.00           O+0
HETATM   36  C   UNK     0       1.749  -3.326  -1.421  0.00  0.00           C+0
HETATM   37  O   UNK     0       3.035  -2.876  -1.894  0.00  0.00           O+0
HETATM   38  C   UNK     0       3.076  -2.498  -3.193  0.00  0.00           C+0
HETATM   39  O   UNK     0       2.121  -2.465  -3.956  0.00  0.00           O+0
HETATM   40  C   UNK     0       4.475  -2.263  -3.635  0.00  0.00           C+0
HETATM   41  C   UNK     0       4.798  -2.887  -4.960  0.00  0.00           C+0
HETATM   42  C   UNK     0       5.384  -1.549  -2.943  0.00  0.00           C+0
HETATM   43  C   UNK     0       5.196  -0.836  -1.689  0.00  0.00           C+0
HETATM   44  C   UNK     0       6.052  -1.354  -0.562  0.00  0.00           C+0
HETATM   45  C   UNK     0       4.350   0.196  -1.496  0.00  0.00           C+0
HETATM   46  C   UNK     0       3.467   0.831  -2.417  0.00  0.00           C+0
HETATM   47  C   UNK     0       3.682   1.077  -3.755  0.00  0.00           C+0
HETATM   48  S   UNK     0       2.302   1.836  -4.430  0.00  0.00           S+0
HETATM   49  C   UNK     0       1.550   1.826  -2.879  0.00  0.00           C+0
HETATM   50  N   UNK     0       2.268   1.284  -1.913  0.00  0.00           N+0
HETATM   51  C   UNK     0       0.144   2.364  -2.704  0.00  0.00           C+0
HETATM   52  C   UNK     0       0.081   3.903  -2.740  0.00  0.00           C+0
HETATM   53  C   UNK     0       0.632   4.634  -1.536  0.00  0.00           C+0
HETATM   54  C   UNK     0       2.001   4.915  -1.425  0.00  0.00           C+0
HETATM   55  C   UNK     0       2.485   5.644  -0.338  0.00  0.00           C+0
HETATM   56  C   UNK     0       1.603   6.099   0.634  0.00  0.00           C+0
HETATM   57  O   UNK     0       2.109   6.839   1.661  0.00  0.00           O+0
HETATM   58  C   UNK     0       0.245   5.810   0.556  0.00  0.00           C+0
HETATM   59  C   UNK     0      -0.238   5.072  -0.525  0.00  0.00           C+0
HETATM   60  N   UNK     0      -0.396   1.785  -1.476  0.00  0.00           N+0
HETATM   61  C   UNK     0      -1.657   1.310  -1.265  0.00  0.00           C+0
HETATM   62  O   UNK     0      -1.952   0.639  -0.281  0.00  0.00           O+0
HETATM   63  C   UNK     0      -2.724   1.601  -2.309  0.00  0.00           C+0
HETATM   64  O   UNK     0      -2.985   2.769  -2.580  0.00  0.00           O+0
HETATM   65  H   UNK     0      -7.289  -0.464  -1.042  0.00  0.00           H+0
HETATM   66  H   UNK     0      -6.722   0.180   0.500  0.00  0.00           H+0
HETATM   67  H   UNK     0      -7.018   1.283  -0.854  0.00  0.00           H+0
HETATM   68  H   UNK     0      -4.585   0.802  -0.417  0.00  0.00           H+0
HETATM   69  H   UNK     0      -4.871  -0.899  -0.771  0.00  0.00           H+0
HETATM   70  H   UNK     0      -5.340   1.423  -2.718  0.00  0.00           H+0
HETATM   71  H   UNK     0      -5.519  -1.593  -3.183  0.00  0.00           H+0
HETATM   72  H   UNK     0      -6.824  -0.403  -3.296  0.00  0.00           H+0
HETATM   73  H   UNK     0      -5.514  -0.376  -4.472  0.00  0.00           H+0
HETATM   74  H   UNK     0      -3.388   0.563  -3.993  0.00  0.00           H+0
HETATM   75  H   UNK     0      -2.924  -1.312  -1.716  0.00  0.00           H+0
HETATM   76  H   UNK     0      -0.264  -2.859  -3.397  0.00  0.00           H+0
HETATM   77  H   UNK     0      -2.579  -3.579  -4.689  0.00  0.00           H+0
HETATM   78  H   UNK     0      -1.574  -4.784  -3.858  0.00  0.00           H+0
HETATM   79  H   UNK     0      -3.705  -5.127  -2.788  0.00  0.00           H+0
HETATM   80  H   UNK     0      -4.060  -3.397  -2.790  0.00  0.00           H+0
HETATM   81  H   UNK     0      -3.195  -3.517  -0.586  0.00  0.00           H+0
HETATM   82  H   UNK     0      -2.152  -4.904  -0.980  0.00  0.00           H+0
HETATM   83  H   UNK     0       0.714  -1.463  -1.829  0.00  0.00           H+0
HETATM   84  H   UNK     0       1.290  -0.310  -0.002  0.00  0.00           H+0
HETATM   85  H   UNK     0       3.172  -0.032   1.519  0.00  0.00           H+0
HETATM   86  H   UNK     0       3.977  -2.206   2.986  0.00  0.00           H+0
HETATM   87  H   UNK     0       4.157  -0.557   3.608  0.00  0.00           H+0
HETATM   88  H   UNK     0       1.858  -2.481   4.173  0.00  0.00           H+0
HETATM   89  H   UNK     0       2.864  -1.635   5.360  0.00  0.00           H+0
HETATM   90  H   UNK     0       1.819   0.471   4.881  0.00  0.00           H+0
HETATM   91  H   UNK     0       0.443  -0.604   4.520  0.00  0.00           H+0
HETATM   92  H   UNK     0      -0.156   1.579   4.147  0.00  0.00           H+0
HETATM   93  H   UNK     0       1.935   2.878   3.985  0.00  0.00           H+0
HETATM   94  H   UNK     0       1.314   3.743   2.562  0.00  0.00           H+0
HETATM   95  H   UNK     0       0.625   5.855   5.443  0.00  0.00           H+0
HETATM   96  H   UNK     0       1.727   5.673   4.062  0.00  0.00           H+0
HETATM   97  H   UNK     0       1.944   4.669   5.530  0.00  0.00           H+0
HETATM   98  H   UNK     0      -1.383   3.475   2.946  0.00  0.00           H+0
HETATM   99  H   UNK     0      -1.993   0.224   1.222  0.00  0.00           H+0
HETATM  100  H   UNK     0       1.273  -3.949  -2.189  0.00  0.00           H+0
HETATM  101  H   UNK     0       1.940  -4.022  -0.599  0.00  0.00           H+0
HETATM  102  H   UNK     0       4.191  -2.440  -5.755  0.00  0.00           H+0
HETATM  103  H   UNK     0       5.850  -2.752  -5.233  0.00  0.00           H+0
HETATM  104  H   UNK     0       4.600  -3.963  -4.934  0.00  0.00           H+0
HETATM  105  H   UNK     0       6.398  -1.476  -3.337  0.00  0.00           H+0
HETATM  106  H   UNK     0       7.115  -1.258  -0.810  0.00  0.00           H+0
HETATM  107  H   UNK     0       5.833  -2.410  -0.368  0.00  0.00           H+0
HETATM  108  H   UNK     0       5.881  -0.807   0.372  0.00  0.00           H+0
HETATM  109  H   UNK     0       4.282   0.604  -0.490  0.00  0.00           H+0
HETATM  110  H   UNK     0       4.544   0.848  -4.363  0.00  0.00           H+0
HETATM  111  H   UNK     0      -0.457   1.983  -3.540  0.00  0.00           H+0
HETATM  112  H   UNK     0       0.589   4.285  -3.636  0.00  0.00           H+0
HETATM  113  H   UNK     0      -0.963   4.214  -2.866  0.00  0.00           H+0
HETATM  114  H   UNK     0       2.699   4.583  -2.189  0.00  0.00           H+0
HETATM  115  H   UNK     0       3.544   5.871  -0.261  0.00  0.00           H+0
HETATM  116  H   UNK     0       1.361   7.231   2.141  0.00  0.00           H+0
HETATM  117  H   UNK     0      -0.450   6.146   1.319  0.00  0.00           H+0
HETATM  118  H   UNK     0      -1.303   4.852  -0.585  0.00  0.00           H+0
HETATM  119  H   UNK     0       0.260   1.667  -0.699  0.00  0.00           H+0
CONECT    1    2   65   66   67                                             
CONECT    2    3    1   68   69                                             
CONECT    3    4    5    2   70                                             
CONECT    4    3   71   72   73                                             
CONECT    5    6   63    3   74                                             
CONECT    6    5    7   75                                                  
CONECT    7    6    9    8                                                  
CONECT    8    7                                                            
CONECT    9    7   13   10   76                                             
CONECT   10    9   11   77   78                                             
CONECT   11   12   10   79   80                                             
CONECT   12   11   13   81   82                                             
CONECT   13   12   14    9                                                  
CONECT   14   16   15   13                                                  
CONECT   15   14                                                            
CONECT   16   36   17   14   83                                             
CONECT   17   16   18   84                                                  
CONECT   18   17   19   20                                                  
CONECT   19   18                                                            
CONECT   20   18   24   21   85                                             
CONECT   21   22   20   86   87                                             
CONECT   22   23   21   88   89                                             
CONECT   23   24   22   90   91                                             
CONECT   24   20   23   25                                                  
CONECT   25   24   26   27                                                  
CONECT   26   25                                                            
CONECT   27   25   31   28   92                                             
CONECT   28   27   29   93   94                                             
CONECT   29   28   30                                                       
CONECT   30   29   95   96   97                                             
CONECT   31   27   32   98                                                  
CONECT   32   31   33   35   34                                             
CONECT   33   32                                                            
CONECT   34   32                                                            
CONECT   35   32   99                                                       
CONECT   36   37   16  100  101                                             
CONECT   37   38   36                                                       
CONECT   38   40   37   39                                                  
CONECT   39   38                                                            
CONECT   40   38   42   41                                                  
CONECT   41   40  102  103  104                                             
CONECT   42   43   40  105                                                  
CONECT   43   44   45   42                                                  
CONECT   44   43  106  107  108                                             
CONECT   45   43   46  109                                                  
CONECT   46   50   47   45                                                  
CONECT   47   48   46  110                                                  
CONECT   48   47   49                                                       
CONECT   49   48   50   51                                                  
CONECT   50   49   46                                                       
CONECT   51   52   60   49  111                                             
CONECT   52   51   53  112  113                                             
CONECT   53   52   54   59                                                  
CONECT   54   53   55  114                                                  
CONECT   55   54   56  115                                                  
CONECT   56   57   55   58                                                  
CONECT   57   56  116                                                       
CONECT   58   56   59  117                                                  
CONECT   59   58   53  118                                                  
CONECT   60   51   61  119                                                  
CONECT   61   60   63   62                                                  
CONECT   62   61                                                            
CONECT   63   61   64    5                                                  
CONECT   64   63                                                            
CONECT   65    1                                                            
CONECT   66    1                                                            
CONECT   67    1                                                            
CONECT   68    2                                                            
CONECT   69    2                                                            
CONECT   70    3                                                            
CONECT   71    4                                                            
CONECT   72    4                                                            
CONECT   73    4                                                            
CONECT   74    5                                                            
CONECT   75    6                                                            
CONECT   76    9                                                            
CONECT   77   10                                                            
CONECT   78   10                                                            
CONECT   79   11                                                            
CONECT   80   11                                                            
CONECT   81   12                                                            
CONECT   82   12                                                            
CONECT   83   16                                                            
CONECT   84   17                                                            
CONECT   85   20                                                            
CONECT   86   21                                                            
CONECT   87   21                                                            
CONECT   88   22                                                            
CONECT   89   22                                                            
CONECT   90   23                                                            
CONECT   91   23                                                            
CONECT   92   27                                                            
CONECT   93   28                                                            
CONECT   94   28                                                            
CONECT   95   30                                                            
CONECT   96   30                                                            
CONECT   97   30                                                            
CONECT   98   31                                                            
CONECT   99   35                                                            
CONECT  100   36                                                            
CONECT  101   36                                                            
CONECT  102   41                                                            
CONECT  103   41                                                            
CONECT  104   41                                                            
CONECT  105   42                                                            
CONECT  106   44                                                            
CONECT  107   44                                                            
CONECT  108   44                                                            
CONECT  109   45                                                            
CONECT  110   47                                                            
CONECT  111   51                                                            
CONECT  112   52                                                            
CONECT  113   52                                                            
CONECT  114   54                                                            
CONECT  115   55                                                            
CONECT  116   57                                                            
CONECT  117   58                                                            
CONECT  118   59                                                            
CONECT  119   60                                                            
MASTER        0    0    0    0    0    0    0    0  119    0  246    0
END
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3D PDB for NP0027116 (scleritodermin A)

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SMILES for NP0027116 (scleritodermin A)
[H]OC1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])[C@]1([H])N([H])C(=O)C(=O)[C@@]([H])(N([H])C(=O)[C@@]2([H])N(C(=O)[C@@]([H])(N([H])C(=O)[C@@]3([H])N(C(=O)[C@]([H])(N([H])[S](=O)(=O)O[H])C([H])([H])OC([H])([H])[H])C([H])([H])C([H])([H])C3([H])[H])C([H])([H])OC(=O)\C(=C(\[H])/C(=C([H])\C3=C([H])SC1=N3)/C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C2([H])[H])[C@@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H]
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INCHI for NP0027116 (scleritodermin A)
InChI=1S/C42H55N7O13S2/c1-6-24(3)34-35(51)38(54)44-29(19-26-11-13-28(50)14-12-26)39-43-27(22-63-39)18-23(2)17-25(4)42(57)62-21-30(40(55)48-15-8-10-33(48)37(53)46-34)45-36(52)32-9-7-16-49(32)41(56)31(20-61-5)47-64(58,59)60/h11-14,17-18,22,24,29-34,47,50H,6-10,15-16,19-21H2,1-5H3,(H,44,54)(H,45,52)(H,46,53)(H,58,59,60)/b23-18-,25-17-/t24-,29-,30-,31+,32-,33-,34-/m0/s1
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Synonyms
ValueSource
(2S)-N-[(2S,6S,9S,15S,19Z,21Z)-6-[(2S)-Butan-2-yl]-8-hydroxy-2-[(4-hydroxyphenyl)methyl]-19,21-dimethyl-4,5,14,18-tetraoxo-17-oxa-25-thia-3,7,13,26-tetraazatricyclo[21.2.1.0,]hexacosa-1(26),7,19,21,23-pentaen-15-yl]-1-[(2R)-3-methoxy-2-(sulfoamino)propanoyl]pyrrolidine-2-carboximidateGenerator
(2S)-N-[(2S,6S,9S,15S,19Z,21Z)-6-[(2S)-Butan-2-yl]-8-hydroxy-2-[(4-hydroxyphenyl)methyl]-19,21-dimethyl-4,5,14,18-tetraoxo-17-oxa-25-thia-3,7,13,26-tetraazatricyclo[21.2.1.0,]hexacosa-1(26),7,19,21,23-pentaen-15-yl]-1-[(2R)-3-methoxy-2-(sulphoamino)propanoyl]pyrrolidine-2-carboximidateGenerator
(2S)-N-[(2S,6S,9S,15S,19Z,21Z)-6-[(2S)-Butan-2-yl]-8-hydroxy-2-[(4-hydroxyphenyl)methyl]-19,21-dimethyl-4,5,14,18-tetraoxo-17-oxa-25-thia-3,7,13,26-tetraazatricyclo[21.2.1.0,]hexacosa-1(26),7,19,21,23-pentaen-15-yl]-1-[(2R)-3-methoxy-2-(sulphoamino)propanoyl]pyrrolidine-2-carboximidic acidGenerator
Chemical FormulaC42H55N7O13S2
Average Mass930.0600 Da
Monoisotopic Mass929.32993 Da
IUPAC Name(2S)-N-[(2S,6S,9S,15S,19Z,21Z)-6-[(2S)-butan-2-yl]-2-[(4-hydroxyphenyl)methyl]-19,21-dimethyl-4,5,8,14,18-pentaoxo-17-oxa-25-thia-3,7,13,26-tetraazatricyclo[21.2.1.0^{9,13}]hexacosa-1(26),19,21,23-tetraen-15-yl]-1-[(2R)-3-methoxy-2-(sulfoamino)propanoyl]pyrrolidine-2-carboxamide
Traditional Name(2S)-N-[(2S,6S,9S,15S,19Z,21Z)-6-[(2S)-butan-2-yl]-2-[(4-hydroxyphenyl)methyl]-19,21-dimethyl-4,5,8,14,18-pentaoxo-17-oxa-25-thia-3,7,13,26-tetraazatricyclo[21.2.1.0^{9,13}]hexacosa-1(26),19,21,23-tetraen-15-yl]-1-[(2R)-3-methoxy-2-(sulfoamino)propanoyl]pyrrolidine-2-carboxamide
CAS Registry NumberNot Available
SMILES
[H]OC1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])[C@]1([H])N([H])C(=O)C(=O)[C@@]([H])(N([H])C(=O)[C@@]2([H])N(C(=O)[C@@]([H])(N([H])C(=O)[C@@]3([H])N(C(=O)[C@]([H])(N([H])[S](=O)(=O)O[H])C([H])([H])OC([H])([H])[H])C([H])([H])C([H])([H])C3([H])[H])C([H])([H])OC(=O)\C(=C(\[H])/C(=C([H])\C3=C([H])SC1=N3)/C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C2([H])[H])[C@@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H]
InChI Identifier
InChI=1S/C42H55N7O13S2/c1-6-24(3)34-35(51)38(54)44-29(19-26-11-13-28(50)14-12-26)39-43-27(22-63-39)18-23(2)17-25(4)42(57)62-21-30(40(55)48-15-8-10-33(48)37(53)46-34)45-36(52)32-9-7-16-49(32)41(56)31(20-61-5)47-64(58,59)60/h11-14,17-18,22,24,29-34,47,50H,6-10,15-16,19-21H2,1-5H3,(H,44,54)(H,45,52)(H,46,53)(H,58,59,60)/b23-18-,25-17-/t24-,29-,30-,31+,32-,33-,34-/m0/s1
InChI KeyFBWRNVAZLCEZQO-GTCYGRJLSA-N
Experimental Spectra
Spectrum TypeDescriptionDepositor EmailDepositor OrganizationDepositorDeposition DateView
1D NMR13C NMR Spectrum (1D, 400 MHz, DMSO-d6, simulated)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 400 MHz, DMSO-d6, simulated)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 100 MHz, DMSO-d6, simulated)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 100 MHz, DMSO-d6, simulated)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 200 MHz, DMSO-d6, simulated)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 200 MHz, DMSO-d6, simulated)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 300 MHz, DMSO-d6, simulated)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 300 MHz, DMSO-d6, simulated)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 500 MHz, DMSO-d6, simulated)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 500 MHz, DMSO-d6, simulated)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 600 MHz, DMSO-d6, simulated)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 600 MHz, DMSO-d6, simulated)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 700 MHz, DMSO-d6, simulated)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 700 MHz, DMSO-d6, simulated)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 800 MHz, DMSO-d6, simulated)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 800 MHz, DMSO-d6, simulated)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 900 MHz, DMSO-d6, simulated)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 900 MHz, DMSO-d6, simulated)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 1000 MHz, DMSO-d6, simulated)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 1000 MHz, DMSO-d6, simulated)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
Predicted Spectra
Not Available
Chemical Shift Submissions
Not Available
Species
Species of Origin
Species NameSourceReference
Scleritoderma nodosumJEOL database
    • Schmidt, E. W., et al, J. Nat. Prod. 67, 475 (2004)
Chemical Taxonomy
Description Belongs to the class of organic compounds known as macrolactams. These are cyclic amides of amino carboxylic acids, having a 1-azacycloalkan-2-one structure, or analogues having unsaturation or heteroatoms replacing one or more carbon atoms of the ring.  They are nitrogen analogues (the a nitrogen atom replacing the o atom of the cyclic carboxylic acid group ) of the naturally occurring macrolides.
KingdomOrganic compounds  
Super ClassPhenylpropanoids and polyketides  
ClassMacrolactams  
Sub ClassNot Available
Direct ParentMacrolactams  
Alternative Parents
Substituents
  • N-acyl-alpha amino acid or derivatives
    • 

  • Macrolactam
    • 

  • Alpha-amino acid amide
    • 

  • Alpha-amino acid or derivatives
    • 

  • N-acylpyrrolidine
    • 

  • 1-hydroxy-2-unsubstituted benzenoid
    • 

  • Phenol
    • 

  • Benzenoid
    • 

  • Sulfuric acid monoamide
    • 

  • Monocyclic benzene moiety
    • 

  • Heteroaromatic compound
    • 

  • Cyclic carboximidic acid
    • 

  • Alpha,beta-unsaturated carboxylic ester
    • 

  • Enoate ester
    • 

  • Thiazole
    • 

  • Tertiary carboxylic acid amide
    • 

  • Pyrrolidine
    • 

  • Organic sulfuric acid or derivatives
    • 

  • Azole
    • 

  • Cyclic ketone
    • 

  • Secondary carboxylic acid amide
    • 

  • Lactone
    • 

  • Lactam
    • 

  • Ketone
    • 

  • Carboxylic acid ester
    • 

  • Carboxamide group
    • 

  • Oxacycle
    • 

  • Azacycle
    • 

  • Organoheterocyclic compound
    • 

  • Organic 1,3-dipolar compound
    • 

  • Propargyl-type 1,3-dipolar organic compound
    • 

  • Monocarboxylic acid or derivatives
    • 

  • Ether
    • 

  • Dialkyl ether
    • 

  • Carboxylic acid derivative
    • 

  • Carboximidic acid derivative
    • 

  • Carboximidic acid
    • 

  • Organic nitrogen compound
    • 

  • Organic oxygen compound
    • 

  • Organopnictogen compound
    • 

  • Organic oxide
    • 

  • Hydrocarbon derivative
    • 

  • Organooxygen compound
    • 

  • Organonitrogen compound
    • 

  • Carbonyl group
    • 

  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External DescriptorsNot Available
Physical Properties
StateNot Available
Experimental Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Predicted Properties
PropertyValueSource
logP1.4ALOGPS
logP-0.39ChemAxon
logS-5ALOGPS
pKa (Strongest Acidic)-1.1ChemAxon
pKa (Strongest Basic)1.24ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count13ChemAxon
Hydrogen Donor Count6ChemAxon
Polar Surface Area280.04 ŲChemAxon
Rotatable Bond Count10ChemAxon
Refractivity231.11 m³·mol⁻¹ChemAxon
Polarizability91.54 ųChemAxon
Number of Rings5ChemAxon
BioavailabilityNoChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
HMDB IDNot Available
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FoodDB IDNot Available
KNApSAcK IDNot Available
Chemspider IDNot Available
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound102411438  
PDB IDNot Available
ChEBI IDNot Available
Good Scents IDNot Available
References
General References
  1. Schmidt, E. W., et al. (2004). Schmidt, E. W., et al, J. Nat. Prod. 67, 475 (2004). J. Nat. Prod..